N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide

C10H21NO3S — CID 166767108

IUPACN-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
SMILESCC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-4-9(7-12)11(10-5-6-10)15(13,14)8(2)3/h8-10,12H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKOVDTDDHGFBALV-SECBINFHSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds6

About N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide (PubChem CID 166767108) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
PubChem CID166767108
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
SMILESCC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-4-9(7-12)11(10-5-6-10)15(13,14)8(2)3/h8-10,12H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKOVDTDDHGFBALV-SECBINFHSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298656
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
CID 153306604
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropane-2-sulfonamide
CID 116817251
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide
CID 115277390
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
CID 156566585
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide
CID 166767239
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 126671090
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 126671095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide (CID 166767108) is N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide is CC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide?
The InChIKey is KOVDTDDHGFBALV-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-9(7-12)11(10-5-6-10)15(13,14)8(2)3/h8-10,12H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 166767108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).