N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide

C12H27NO3S — CID 103521342

IUPACN-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-11(2)13(8-6-9-14)17(15,16)10-7-12(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyPBPKUGKRBVVGTH-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.85
Rot. Bonds7

About N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide

N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 103521342) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
PubChem CID103521342
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-11(2)13(8-6-9-14)17(15,16)10-7-12(3,4)5/h11,14H,6-10H2,1-5H3
InChIKeyPBPKUGKRBVVGTH-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521702
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845
N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
CID 80672142
N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
CID 103916497
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
CID 111439973
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735744
N-(3-bromopropyl)-4,4,4-trifluoro-N-propan-2-ylbutane-1-sulfonamide
CID 83058943
N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521829
N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
CID 61066384
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 61125836
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide (CID 103521342) is N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide is CC(C)N(CCCO)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is PBPKUGKRBVVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-11(2)13(8-6-9-14)17(15,16)10-7-12(3,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 103521342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).