3-[methyl(thiolan-3-yl)amino]pentanenitrile

C10H18N2S — CID 43296619

IUPAC3-[methyl(thiolan-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCSC1
InChIInChI=1S/C10H18N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-5,7-8H2,1-2H3
InChIKeyAWNXJHGSJUGWSR-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.12
Rot. Bonds4

About 3-[methyl(thiolan-3-yl)amino]pentanenitrile

3-[methyl(thiolan-3-yl)amino]pentanenitrile (PubChem CID 43296619) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]pentanenitrile
PubChem CID43296619
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-[methyl(thiolan-3-yl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCSC1
InChIInChI=1S/C10H18N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-5,7-8H2,1-2H3
InChIKeyAWNXJHGSJUGWSR-UHFFFAOYSA-N
XLogP2.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-di(propan-2-yl)thiolan-3-amine
CID 22975545
2-[Cyanomethyl(2-methylsulfanylethyl)amino]-4-methylsulfanylbutanenitrile
CID 88416001
N-methyl-N-propan-2-ylthiolan-3-amine
CID 130194928
N,N-diethylthiolan-3-amine
CID 130842170
N-ethyl-N-propan-2-ylthiolan-3-amine
CID 145697758
5-(3-Pyrrolidin-1-ylpropylsulfanyl)pentanenitrile
CID 156225730
2-(1,3-Thiazolidin-3-yl)pentanenitrile
CID 175743883
2-Methyl-3-[methyl(thiolan-3-yl)amino]propanenitrile
CID 43296620
3-[Methyl(thiolan-3-yl)amino]propanenitrile
CID 43296634
4-[Methyl(thiolan-3-yl)amino]butanenitrile
CID 43296639
2-[Methyl(thiolan-3-yl)amino]acetonitrile
CID 43296640
3-Thiomorpholin-4-ylpentanenitrile
CID 43367559

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiolan-3-yl)amino]pentanenitrile?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]pentanenitrile (CID 43296619) is 3-[methyl(thiolan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]pentanenitrile?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]pentanenitrile is CCC(CC#N)N(C)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]pentanenitrile?
The InChIKey is AWNXJHGSJUGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[methyl(thiolan-3-yl)amino]pentanenitrile?
3-[methyl(thiolan-3-yl)amino]pentanenitrile has a molecular weight of 198.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiolan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 43296619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).