N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine

C11H23NO2S — CID 115896677

IUPACN-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-11(4-2)12-9-10-5-7-15(13,14)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyZUMRKOCNULYOTQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds5

About N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine

N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine (PubChem CID 115896677) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
PubChem CID115896677
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-11(4-2)12-9-10-5-7-15(13,14)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyZUMRKOCNULYOTQ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine 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

N-[(1,1-dioxothiolan-3-yl)methyl]hept-6-en-3-amine
CID 75427554
N-[(1,1-dioxothiolan-3-yl)methyl]undecan-6-amine
CID 61057538
N-[(1,1-dioxothian-4-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 115896671
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxybutan-2-amine
CID 115708252
4-[(pentan-3-ylamino)methyl]cyclohexane-1-carboxamide
CID 115892601
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 39782154
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
1-(2,6-difluorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 75441562
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 97096207
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
(1,1-dioxothiepan-4-yl)methylhydrazine
CID 84664356

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine (CID 115896677) is N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine is CCC(CC)NCC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine?
The InChIKey is ZUMRKOCNULYOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-11(4-2)12-9-10-5-7-15(13,14)8-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine?
N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115896677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).