3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane

C13H30N2O3S — CID 103836357

IUPAC3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
SMILESCCCC(CCO)CNS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C13H30N2O3S/c1-4-7-13(8-11-16)12-14-19(17,18)15(9-5-2)10-6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyPXDRYCDNPYSQGQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.74
Rot. Bonds12

About 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane

3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane (PubChem CID 103836357) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane.

Molecular Properties

Compound Name3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
PubChem CID103836357
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC Name3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
SMILESCCCC(CCO)CNS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C13H30N2O3S/c1-4-7-13(8-11-16)12-14-19(17,18)15(9-5-2)10-6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyPXDRYCDNPYSQGQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404
1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
CID 106118384
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
1-[ethylsulfamoyl(2-hydroxyethyl)amino]-2-hydroxyethane
CID 115899468
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399

Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane?
The IUPAC name of 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane (CID 103836357) is 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane.
What is the SMILES notation for 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane?
The canonical SMILES for 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane is CCCC(CCO)CNS(=O)(=O)N(CCC)CCC.
What is the InChIKey of 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane?
The InChIKey is PXDRYCDNPYSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-4-7-13(8-11-16)12-14-19(17,18)15(9-5-2)10-6-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane?
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane has a molecular weight of 294.46 g/mol, XLogP of 1.74, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane is sourced from PubChem (CID 103836357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).