N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

C12H28N2O2S — CID 63926727

IUPACN-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2)6-7-12(5)14-17(15,16)9-8-13-11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyNZDIVMCTYZXTKR-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.73
Rot. Bonds9

About N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 63926727) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID63926727
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)CCNC(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2)6-7-12(5)14-17(15,16)9-8-13-11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyNZDIVMCTYZXTKR-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
N-(4-methylpentan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972724
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
N,N-dimethyl-2-(5-methylhexan-2-ylamino)ethanesulfonamide
CID 106335163
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 63926727) is N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)CCC(C)NS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is NZDIVMCTYZXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-10(2)6-7-12(5)14-17(15,16)9-8-13-11(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 63926727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).