3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane

C7H18N2O3S — CID 103657859

IUPAC3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
SMILESCCC(CC)C(O)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyHOLDISQGAWUNDP-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane

3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane (PubChem CID 103657859) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
PubChem CID103657859
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
SMILESCCC(CC)C(O)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyHOLDISQGAWUNDP-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

Analyze 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-3-ethylpentan-2-ol
CID 18356486
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 113924255
3-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
CID 114168843
(2R)-1-amino-3-ethylpentan-2-ol
CID 51652318
[(2R,3R)-4-amino-2-ethyl-3-hydroxybutyl] sulfamate
CID 139354548
methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate
CID 175569968
(2S)-1-amino-3-ethylpentan-2-ol
CID 51652320
[2-[[Butyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]cyclopropane
CID 63298482
[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]cyclopropane
CID 63298499
[2-(Diethylsulfamoylamino)-1-hydroxyethyl]cyclopropane
CID 63298589
1-[(Dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane
CID 66007399
N-(3-ethyl-2-hydroxypentyl)methanesulfonamide
CID 103684556

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The IUPAC name of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane (CID 103657859) is 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane is CCC(CC)C(O)CNS(N)(=O)=O.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The InChIKey is HOLDISQGAWUNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12).
What are the key properties of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
3-ethyl-2-hydroxy-1-(sulfamoylamino)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-ethyl-2-hydroxy-1-(sulfamoylamino)pentane is sourced from PubChem (CID 103657859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).