N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

C13H27NO3S — CID 153298556

IUPACN-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO3S/c1-10(2)7-13(9-15)14(8-12-5-6-12)18(16,17)11(3)4/h10-13,15H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyHUDBBDFIOBXDCD-ZDUSSCGKSA-N
MW277.43 g/mol
LogP1.84
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (PubChem CID 153298556) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
PubChem CID153298556
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C13H27NO3S/c1-10(2)7-13(9-15)14(8-12-5-6-12)18(16,17)11(3)4/h10-13,15H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyHUDBBDFIOBXDCD-ZDUSSCGKSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (CID 153298556) is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is CC(C)C[C@@H](CO)N(CC1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The InChIKey is HUDBBDFIOBXDCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-10(2)7-13(9-15)14(8-12-5-6-12)18(16,17)11(3)4/h10-13,15H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 153298556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).