N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide

C14H32N2O2S — CID 79488638

IUPACN-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C14H32N2O2S/c1-7-14(8-2)16(11-12(3)4)19(17,18)10-9-15-13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyPVYNFXPBEKTRFC-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.46
Rot. Bonds10

About N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide

N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 79488638) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID79488638
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C14H32N2O2S/c1-7-14(8-2)16(11-12(3)4)19(17,18)10-9-15-13(5)6/h12-15H,7-11H2,1-6H3
InChIKeyPVYNFXPBEKTRFC-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(2-methylpropyl)-N-pentan-3-ylmethanesulfonamide
CID 79488883
4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 79488616
4-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 79488295
N-(2-methylpropyl)-N-pentan-3-yl-2-piperazin-1-ylethanesulfonamide
CID 79488628
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
N-cyclohexyl-N-ethyl-2-(propan-2-ylamino)ethanesulfonamide
CID 54973746
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide (CID 79488638) is N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is PVYNFXPBEKTRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-7-14(8-2)16(11-12(3)4)19(17,18)10-9-15-13(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide?
N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 79488638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).