N,N-bis(3-hydroxypropyl)methanesulfonamide

C7H17NO4S — CID 20746482

IUPACN,N-bis(3-hydroxypropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCO)CCCO
InChIInChI=1S/C7H17NO4S/c1-13(11,12)8(4-2-6-9)5-3-7-10/h9-10H,2-7H2,1H3
InChIKeyUDCKHUXNVWCKIG-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.99
Rot. Bonds7

About N,N-bis(3-hydroxypropyl)methanesulfonamide

N,N-bis(3-hydroxypropyl)methanesulfonamide (PubChem CID 20746482) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)methanesulfonamide
PubChem CID20746482
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN,N-bis(3-hydroxypropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCO)CCCO
InChIInChI=1S/C7H17NO4S/c1-13(11,12)8(4-2-6-9)5-3-7-10/h9-10H,2-7H2,1H3
InChIKeyUDCKHUXNVWCKIG-UHFFFAOYSA-N
XLogP-0.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutyl)-N-methylsulfonylmethanesulfonamide
CID 87416448
N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 20793028
N,N-bis(pent-4-enyl)methanesulfonamide
CID 155624324
N-(3-bromopropyl)-N-butylmethanesulfonamide
CID 138921783
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
CID 111439973
N-(3-hydroxypropyl)-N-(methylsulfonylmethyl)formamide
CID 89465036
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N-(2-hydroxyethyl)methanesulfonohydrazide
CID 138600625
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 112689196
N-ethyl-N-(4-iodobutyl)methanesulfonamide
CID 89182748
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)methanesulfonamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)methanesulfonamide (CID 20746482) is N,N-bis(3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)methanesulfonamide is CS(=O)(=O)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)methanesulfonamide?
The InChIKey is UDCKHUXNVWCKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-13(11,12)8(4-2-6-9)5-3-7-10/h9-10H,2-7H2,1H3.
What are the key properties of N,N-bis(3-hydroxypropyl)methanesulfonamide?
N,N-bis(3-hydroxypropyl)methanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 20746482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).