(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine

C16H29N3O3S — CID 100907653

IUPAC(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c17-23(21,22)18-10-12-5-4-8-19(11-12)16(20)15-9-14(15)13-6-2-1-3-7-13/h12-15,18H,1-11H2,(H2,17,21,22)/t12-,14+,15+/m0/s1
InChIKeyIXFKRVLBLQEKBE-NWANDNLSSA-N
MW343.49 g/mol
LogP1.23
Rot. Bonds5

About (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine

(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 100907653) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
PubChem CID100907653
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c17-23(21,22)18-10-12-5-4-8-19(11-12)16(20)15-9-14(15)13-6-2-1-3-7-13/h12-15,18H,1-11H2,(H2,17,21,22)/t12-,14+,15+/m0/s1
InChIKeyIXFKRVLBLQEKBE-NWANDNLSSA-N
XLogP1.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine with MolForge

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Related Compounds

1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62213043
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
CID 119593107
1-but-2-ynoyl-3-[(sulfamoylamino)methyl]piperidine
CID 107992574
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine (CID 100907653) is (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is IXFKRVLBLQEKBE-NWANDNLSSA-N. The full InChI is InChI=1S/C16H29N3O3S/c17-23(21,22)18-10-12-5-4-8-19(11-12)16(20)15-9-14(15)13-6-2-1-3-7-13/h12-15,18H,1-11H2,(H2,17,21,22)/t12-,14+,15+/m0/s1.
What are the key properties of (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine?
(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 343.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 100907653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).