(1-butan-2-ylsulfanylcyclopentyl)methanamine

C10H21NS — CID 65137491

IUPAC(1-butan-2-ylsulfanylcyclopentyl)methanamine
SMILESCCC(C)SC1(CN)CCCC1
InChIInChI=1S/C10H21NS/c1-3-9(2)12-10(8-11)6-4-5-7-10/h9H,3-8,11H2,1-2H3
InChIKeyDVGVTXVEFIBYOS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds4

About (1-butan-2-ylsulfanylcyclopentyl)methanamine

(1-butan-2-ylsulfanylcyclopentyl)methanamine (PubChem CID 65137491) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (1-butan-2-ylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-butan-2-ylsulfanylcyclopentyl)methanamine
PubChem CID65137491
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(1-butan-2-ylsulfanylcyclopentyl)methanamine
SMILESCCC(C)SC1(CN)CCCC1
InChIInChI=1S/C10H21NS/c1-3-9(2)12-10(8-11)6-4-5-7-10/h9H,3-8,11H2,1-2H3
InChIKeyDVGVTXVEFIBYOS-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butan-2-ylsulfanylspiro[2.3]hexan-5-yl)methanamine
CID 65137490
1-butan-2-ylsulfanylcyclopentane-1-carbonitrile
CID 65137114
(1-ethylsulfanylcyclopropyl)methanamine
CID 65130659
2-butan-2-ylsulfanylspiro[3.4]octane-2-carbonitrile
CID 65136844
1-butan-2-ylsulfanylcyclopropane-1-carboxylic acid
CID 65137169
1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
CID 87155135
(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
1-(1-aminopropan-2-ylsulfanylmethyl)cyclohexan-1-ol
CID 66244554
(1-cyclohexylsulfanylcyclopentyl)methanamine
CID 65139467
1-(1-ethylsulfanylcyclohexyl)ethanamine
CID 115017412
1-(bromomethyl)-1-(butan-2-ylsulfanylmethyl)cycloheptane
CID 65010507

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-ylsulfanylcyclopentyl)methanamine?
The IUPAC name of (1-butan-2-ylsulfanylcyclopentyl)methanamine (CID 65137491) is (1-butan-2-ylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (1-butan-2-ylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (1-butan-2-ylsulfanylcyclopentyl)methanamine is CCC(C)SC1(CN)CCCC1.
What is the InChIKey of (1-butan-2-ylsulfanylcyclopentyl)methanamine?
The InChIKey is DVGVTXVEFIBYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-9(2)12-10(8-11)6-4-5-7-10/h9H,3-8,11H2,1-2H3.
What are the key properties of (1-butan-2-ylsulfanylcyclopentyl)methanamine?
(1-butan-2-ylsulfanylcyclopentyl)methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 65137491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).