N-(thian-2-ylmethyl)cyclobutanamine

C10H19NS — CID 80599941

IUPACN-(thian-2-ylmethyl)cyclobutanamine
SMILESC1CCC(CNC2CCC2)SC1
InChIInChI=1S/C10H19NS/c1-2-7-12-10(6-1)8-11-9-4-3-5-9/h9-11H,1-8H2
InChIKeyANSVZHVAKNCUCH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds3

About N-(thian-2-ylmethyl)cyclobutanamine

N-(thian-2-ylmethyl)cyclobutanamine (PubChem CID 80599941) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)cyclobutanamine
PubChem CID80599941
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(thian-2-ylmethyl)cyclobutanamine
SMILESC1CCC(CNC2CCC2)SC1
InChIInChI=1S/C10H19NS/c1-2-7-12-10(6-1)8-11-9-4-3-5-9/h9-11H,1-8H2
InChIKeyANSVZHVAKNCUCH-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxo-N-(thian-2-ylmethyl)thian-4-amine
CID 80600452
4-propan-2-yl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80585023
4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80583942
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
CID 102733755
1,1-dioxo-N-(thian-2-ylmethyl)thiolan-3-amine
CID 80599834
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80600159
(3R,4R)-4-(thian-2-ylmethylamino)pyrrolidin-3-ol
CID 130891380

Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(thian-2-ylmethyl)cyclobutanamine (CID 80599941) is N-(thian-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(thian-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(thian-2-ylmethyl)cyclobutanamine is C1CCC(CNC2CCC2)SC1.
What is the InChIKey of N-(thian-2-ylmethyl)cyclobutanamine?
The InChIKey is ANSVZHVAKNCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-7-12-10(6-1)8-11-9-4-3-5-9/h9-11H,1-8H2.
What are the key properties of N-(thian-2-ylmethyl)cyclobutanamine?
N-(thian-2-ylmethyl)cyclobutanamine has a molecular weight of 185.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 80599941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).