N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide

C14H29NO3S — CID 153306604

IUPACN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
SMILESCC(C)CC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C14H29NO3S/c1-11(2)5-8-14(10-16)15(9-13-6-7-13)19(17,18)12(3)4/h11-14,16H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyPLVPOMNUHNPSEZ-CQSZACIVSA-N
MW291.46 g/mol
LogP2.23
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide (PubChem CID 153306604) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
PubChem CID153306604
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
SMILESCC(C)CC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C14H29NO3S/c1-11(2)5-8-14(10-16)15(9-13-6-7-13)19(17,18)12(3)4/h11-14,16H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyPLVPOMNUHNPSEZ-CQSZACIVSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-[(2R)-5-methylhexan-2-yl]methanesulfonamide
CID 170081112
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435358
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfonamide
CID 153298749
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
N-cyclopropyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298656
N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
CID 166767108
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 126671090
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 126671095
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propan-1-ol
CID 64826017
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropane-2-sulfonamide
CID 116817251
N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 60865128

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide (CID 153306604) is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide is CC(C)CC[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide?
The InChIKey is PLVPOMNUHNPSEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-11(2)5-8-14(10-16)15(9-13-6-7-13)19(17,18)12(3)4/h11-14,16H,5-10H2,1-4H3/t14-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 153306604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).