N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide

C9H20N2O2S — CID 93452968

IUPACN-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h8-9,11H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyMFGIJQKRYVIDRK-RKDXNWHRSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide

N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide (PubChem CID 93452968) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
PubChem CID93452968
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h8-9,11H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyMFGIJQKRYVIDRK-RKDXNWHRSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide (CID 93452968) is N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide?
The InChIKey is MFGIJQKRYVIDRK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h8-9,11H,2-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 93452968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).