N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine

C11H21NO2S — CID 71861030

IUPACN-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
SMILESCN(CC1CCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S/c1-12(9-10-3-2-4-10)11-5-7-15(13,14)8-6-11/h10-11H,2-9H2,1H3
InChIKeyCCPNIOGSQOVJTP-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.30
Rot. Bonds3

About N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine

N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine (PubChem CID 71861030) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
PubChem CID71861030
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
SMILESCN(CC1CCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S/c1-12(9-10-3-2-4-10)11-5-7-15(13,14)8-6-11/h10-11H,2-9H2,1H3
InChIKeyCCPNIOGSQOVJTP-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-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

3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
1-(2-Methyl-1,1-dioxido-3-thietanyl)piperidine
CID 300289
(2S,3R)-3-piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 21781764
3-Piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 73839107
(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 92856900
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
3-Cyclopropyl-4-[(3,3-difluorocyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 128578548
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
(1,1-Dioxidotetrahydro-3-thienyl)ethyl(2-methylpentyl)amine
CID 45932972
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine (CID 71861030) is N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine is CN(CC1CCC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is CCPNIOGSQOVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-12(9-10-3-2-4-10)11-5-7-15(13,14)8-6-11/h10-11H,2-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine?
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 231.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 71861030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).