3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane

C7H18N2O3S — CID 103844834

IUPAC3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
SMILESCCC(CC)(CO)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-7(4-2,6-10)5-9-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyBOLSSMOSZBBNSY-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane

3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane (PubChem CID 103844834) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane.

Molecular Properties

Compound Name3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
PubChem CID103844834
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
SMILESCCC(CC)(CO)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-7(4-2,6-10)5-9-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyBOLSSMOSZBBNSY-UHFFFAOYSA-N
XLogP-0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
N-[2-ethyl-2-(hydroxymethyl)butyl]propane-1-sulfonamide
CID 103844842
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
2-[(tert-butylsulfamoylamino)methyl]-2-ethylbutan-1-ol
CID 106253301
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]propanoate
CID 103844785
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
CID 10727803
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane?
The IUPAC name of 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane (CID 103844834) is 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane.
What is the SMILES notation for 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane?
The canonical SMILES for 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane is CCC(CC)(CO)CNS(N)(=O)=O.
What is the InChIKey of 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane?
The InChIKey is BOLSSMOSZBBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-7(4-2,6-10)5-9-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane?
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane has a molecular weight of 210.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane is sourced from PubChem (CID 103844834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).