2-(cyclobutylamino)sulfanyl-N-methylaniline

C11H16N2S — CID 143003122

IUPAC2-(cyclobutylamino)sulfanyl-N-methylaniline
SMILESCNc1ccccc1SNC1CCC1
InChIInChI=1S/C11H16N2S/c1-12-10-7-2-3-8-11(10)14-13-9-5-4-6-9/h2-3,7-9,12-13H,4-6H2,1H3
InChIKeySECHSGXIZXCZSJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.88
Rot. Bonds4

About 2-(cyclobutylamino)sulfanyl-N-methylaniline

2-(cyclobutylamino)sulfanyl-N-methylaniline (PubChem CID 143003122) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(cyclobutylamino)sulfanyl-N-methylaniline.

Molecular Properties

Compound Name2-(cyclobutylamino)sulfanyl-N-methylaniline
PubChem CID143003122
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(cyclobutylamino)sulfanyl-N-methylaniline
SMILESCNc1ccccc1SNC1CCC1
InChIInChI=1S/C11H16N2S/c1-12-10-7-2-3-8-11(10)14-13-9-5-4-6-9/h2-3,7-9,12-13H,4-6H2,1H3
InChIKeySECHSGXIZXCZSJ-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine
CID 156543553
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
N-methyl-2-(propylaminosulfanyl)aniline
CID 145123235
N-cyclobutyl-2-methyl-3-methylsulfanylaniline
CID 131031476
2-cyclopentyloxy-N-methylaniline
CID 130903637
[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium
CID 163536937
N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
CID 64718248
5-chloro-4-N-[2-(cyclobutylamino)sulfanylphenyl]-2-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine;1-methylpyrrolidine
CID 143003171
N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine
CID 142003423
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
2-[1-(2-ethenylcyclopropyl)ethenylamino]sulfanyl-N-methylaniline
CID 143563572
N-cyclobutyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)sulfanyl-N-methylaniline?
The IUPAC name of 2-(cyclobutylamino)sulfanyl-N-methylaniline (CID 143003122) is 2-(cyclobutylamino)sulfanyl-N-methylaniline.
What is the SMILES notation for 2-(cyclobutylamino)sulfanyl-N-methylaniline?
The canonical SMILES for 2-(cyclobutylamino)sulfanyl-N-methylaniline is CNc1ccccc1SNC1CCC1.
What is the InChIKey of 2-(cyclobutylamino)sulfanyl-N-methylaniline?
The InChIKey is SECHSGXIZXCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-12-10-7-2-3-8-11(10)14-13-9-5-4-6-9/h2-3,7-9,12-13H,4-6H2,1H3.
What are the key properties of 2-(cyclobutylamino)sulfanyl-N-methylaniline?
2-(cyclobutylamino)sulfanyl-N-methylaniline has a molecular weight of 208.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)sulfanyl-N-methylaniline is sourced from PubChem (CID 143003122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).