N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide

C12H25NO2S — CID 166767239

IUPACN-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide
SMILESCCC[C@H](C)N(C1CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-6-7-10(2)13(11-8-9-11)16(14,15)12(3,4)5/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyAMICUTCRSBKABN-JTQLQIEISA-N
MW247.40 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide

N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide (PubChem CID 166767239) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide
PubChem CID166767239
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide
SMILESCCC[C@H](C)N(C1CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-6-7-10(2)13(11-8-9-11)16(14,15)12(3,4)5/h10-11H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyAMICUTCRSBKABN-JTQLQIEISA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435358
(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide
CID 99807775
7-[tert-butylsulfonyl(cyclopropylmethyl)amino]-N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2,5-dimethylheptane-2-sulfonamide
CID 170080785
N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
CID 166767108
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
CID 79467905
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylpropane-2-sulfonamide
CID 116652176
1-heptan-4-ylsulfonyl-4-(3-methylpentan-3-yloxy)cyclohexane
CID 130177476
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630208
ethane;N-methyl-N-(2-methylheptan-4-yl)cyclopropanamine
CID 145168732

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide (CID 166767239) is N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide is CCC[C@H](C)N(C1CC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide?
The InChIKey is AMICUTCRSBKABN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO2S/c1-6-7-10(2)13(11-8-9-11)16(14,15)12(3,4)5/h10-11H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 166767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).