N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

C10H24N2O3S — CID 64603456

IUPACN-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOCCC(C)NS(=O)(=O)CCNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-9(2)11-6-8-16(13,14)12-10(3)5-7-15-4/h9-12H,5-8H2,1-4H3
InChIKeyARPCQKCWOHEEHN-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds9

About N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 64603456) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID64603456
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOCCC(C)NS(=O)(=O)CCNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-9(2)11-6-8-16(13,14)12-10(3)5-7-15-4/h9-12H,5-8H2,1-4H3
InChIKeyARPCQKCWOHEEHN-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(4-methylpentan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972724
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 55004039
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
CID 115662705
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 116500388

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 64603456) is N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is COCCC(C)NS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ARPCQKCWOHEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-9(2)11-6-8-16(13,14)12-10(3)5-7-15-4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 64603456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).