4-[(1,1-dioxothian-4-yl)amino]butan-2-ol

C9H19NO3S — CID 64910901

IUPAC4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-8(11)2-5-10-9-3-6-14(12,13)7-4-9/h8-11H,2-7H2,1H3
InChIKeyJHRYGUKUNCXMRM-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

About 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol

4-[(1,1-dioxothian-4-yl)amino]butan-2-ol (PubChem CID 64910901) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
PubChem CID64910901
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
SMILESCC(O)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-8(11)2-5-10-9-3-6-14(12,13)7-4-9/h8-11H,2-7H2,1H3
InChIKeyJHRYGUKUNCXMRM-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol 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

4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
CID 64913852
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
CID 63982238
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
(2R)-4-[[(3S,5S)-3,5-dimethylcyclohexyl]amino]butan-2-ol
CID 96784232
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol (CID 64910901) is 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol is CC(O)CCNC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol?
The InChIKey is JHRYGUKUNCXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(11)2-5-10-9-3-6-14(12,13)7-4-9/h8-11H,2-7H2,1H3.
What are the key properties of 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol?
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64910901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).