(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide

C16H30N4O3S — CID 173098922

IUPAC(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(CCN2[C@@H]3CCC[C@@]2(C(N)=O)CC3)C1
InChIInChI=1S/C16H30N4O3S/c1-24(22,23)18-13-4-3-9-19(12-13)10-11-20-14-5-2-7-16(20,8-6-14)15(17)21/h13-14,18H,2-12H2,1H3,(H2,17,21)/t13-,14-,16+/m1/s1
InChIKeyASWCLYYBBMUJHE-FMKPAKJESA-N
MW358.51 g/mol
LogP-0.13
Rot. Bonds6

About (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide

(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 173098922) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
PubChem CID173098922
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESCS(=O)(=O)N[C@@H]1CCCN(CCN2[C@@H]3CCC[C@@]2(C(N)=O)CC3)C1
InChIInChI=1S/C16H30N4O3S/c1-24(22,23)18-13-4-3-9-19(12-13)10-11-20-14-5-2-7-16(20,8-6-14)15(17)21/h13-14,18H,2-12H2,1H3,(H2,17,21)/t13-,14-,16+/m1/s1
InChIKeyASWCLYYBBMUJHE-FMKPAKJESA-N
XLogP-0.13
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-8-[2-(4-acetylpiperazin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 71251663
(1S,5R)-8-[(2R)-2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173027286
N-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]methanesulfonamide
CID 100624594
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
CID 173494187
(1S,5R)-8-[2-hydroxy-3-(4-propan-2-ylsulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173118417
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
(1R)-8-[2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173152433
N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 95142904
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
N-[(3R)-1-[[1-(2-methoxyethyl)cyclohexyl]methyl]piperidin-3-yl]methanesulfonamide
CID 99828747

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide (CID 173098922) is (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide is CS(=O)(=O)N[C@@H]1CCCN(CCN2[C@@H]3CCC[C@@]2(C(N)=O)CC3)C1.
What is the InChIKey of (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is ASWCLYYBBMUJHE-FMKPAKJESA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-24(22,23)18-13-4-3-9-19(12-13)10-11-20-14-5-2-7-16(20,8-6-14)15(17)21/h13-14,18H,2-12H2,1H3,(H2,17,21)/t13-,14-,16+/m1/s1.
What are the key properties of (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide?
(1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-[2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 173098922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).