N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

C14H24N2O4S — CID 166272481

IUPACN-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCO[C@@H]1C[C@@]2(C(=O)N3CCCCC3CNS(C)(=O)=O)C[C@@H]12
InChIInChI=1S/C14H24N2O4S/c1-20-12-8-14(7-11(12)14)13(17)16-6-4-3-5-10(16)9-15-21(2,18)19/h10-12,15H,3-9H2,1-2H3/t10?,11-,12+,14-/m0/s1
InChIKeyGYZMEKWADDBCOE-CMGMYYOESA-N
MW316.42 g/mol
LogP0.34
Rot. Bonds5

About N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 166272481) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID166272481
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCO[C@@H]1C[C@@]2(C(=O)N3CCCCC3CNS(C)(=O)=O)C[C@@H]12
InChIInChI=1S/C14H24N2O4S/c1-20-12-8-14(7-11(12)14)13(17)16-6-4-3-5-10(16)9-15-21(2,18)19/h10-12,15H,3-9H2,1-2H3/t10?,11-,12+,14-/m0/s1
InChIKeyGYZMEKWADDBCOE-CMGMYYOESA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 146149266
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide (CID 166272481) is N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is CO[C@@H]1C[C@@]2(C(=O)N3CCCCC3CNS(C)(=O)=O)C[C@@H]12.
What is the InChIKey of N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is GYZMEKWADDBCOE-CMGMYYOESA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-20-12-8-14(7-11(12)14)13(17)16-6-4-3-5-10(16)9-15-21(2,18)19/h10-12,15H,3-9H2,1-2H3/t10?,11-,12+,14-/m0/s1.
What are the key properties of N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 166272481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).