N-(6-methylheptan-2-yl)propane-1-sulfonamide

C11H25NO2S — CID 61383965

IUPACN-(6-methylheptan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-9-15(13,14)12-11(4)8-6-7-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyOGVHEUXWWCMXQX-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.53
Rot. Bonds8

About N-(6-methylheptan-2-yl)propane-1-sulfonamide

N-(6-methylheptan-2-yl)propane-1-sulfonamide (PubChem CID 61383965) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)propane-1-sulfonamide
PubChem CID61383965
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(6-methylheptan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-9-15(13,14)12-11(4)8-6-7-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyOGVHEUXWWCMXQX-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
N-butan-2-yl-3-methylbutane-1-sulfonamide
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2-amino-N-octan-2-ylethanesulfonamide
CID 61477051
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
N-(methylsulfamoyl)octan-2-amine
CID 167189143
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-methylheptan-2-yl)propane-1-sulfonamide (CID 61383965) is N-(6-methylheptan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-methylheptan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)CCCC(C)C.
What is the InChIKey of N-(6-methylheptan-2-yl)propane-1-sulfonamide?
The InChIKey is OGVHEUXWWCMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-9-15(13,14)12-11(4)8-6-7-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(6-methylheptan-2-yl)propane-1-sulfonamide?
N-(6-methylheptan-2-yl)propane-1-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 61383965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).