N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide

C8H17NO3S2 — CID 103861132

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H17NO3S2/c1-6(8(5-10)13-2)9-14(11,12)7-3-4-7/h6-10H,3-5H2,1-2H3
InChIKeyPEWHGZZBAKAMCC-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.18
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide (PubChem CID 103861132) has the molecular formula C8H17NO3S2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
PubChem CID103861132
Molecular FormulaC8H17NO3S2
Molecular Weight239.36 g/mol
Exact Mass239.06
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H17NO3S2/c1-6(8(5-10)13-2)9-14(11,12)7-3-4-7/h6-10H,3-5H2,1-2H3
InChIKeyPEWHGZZBAKAMCC-UHFFFAOYSA-N
XLogP0.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 103943209
N-(1-hydroxypropan-2-yl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769760
N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 58704014
3-Amino-4-(2-amino-4-hydroxybutyl)sulfonylbutan-1-ol
CID 88064908
N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide
CID 146435836
N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide
CID 170080780
N-(3-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 170672469
N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 43501635
N-(1-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 63243087
2-Amino-4-(2-methylsulfonylethylsulfanyl)butan-1-ol
CID 64805462
3-Amino-4-ethylsulfonylbutan-1-ol
CID 64897788
3-Amino-4-methanesulfonylbutan-1-ol
CID 64897983

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide (CID 103861132) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide is CSC(CO)C(C)NS(=O)(=O)C1CC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide?
The InChIKey is PEWHGZZBAKAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S2/c1-6(8(5-10)13-2)9-14(11,12)7-3-4-7/h6-10H,3-5H2,1-2H3.
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide has a molecular weight of 239.36 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide is sourced from PubChem (CID 103861132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).