2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile

C10H17N3S2 — CID 22908329

IUPAC2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile
SMILESCSCCC(C#N)NC(C#N)CCSC
InChIInChI=1S/C10H17N3S2/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2/h9-10,13H,3-6H2,1-2H3
InChIKeyMCZCZMKUCCXCHG-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.87
Rot. Bonds8

About 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile

2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile (PubChem CID 22908329) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile
PubChem CID22908329
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile
SMILESCSCCC(C#N)NC(C#N)CCSC
InChIInChI=1S/C10H17N3S2/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2/h9-10,13H,3-6H2,1-2H3
InChIKeyMCZCZMKUCCXCHG-UHFFFAOYSA-N
XLogP1.87
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 165091142
CID 165091142
2-(4-bromoanilino)-4-methylsulfanylbutanenitrile
CID 60988272
2-amino-4-methylsulfanylbutanenitrile;hydrate
CID 141354426
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053353
2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen
CID 142227893
2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
CID 103089212
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
2-(4-bromoanilino)-5-methylsulfanylpentanenitrile
CID 103089133
2-(butan-2-ylamino)pentanenitrile
CID 61023749
4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63028721
3-methylsulfanylpropylcyanamide
CID 63965821
4-(2,5-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)butanenitrile
CID 55142966

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile?
The IUPAC name of 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile (CID 22908329) is 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile.
What is the SMILES notation for 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile?
The canonical SMILES for 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile is CSCCC(C#N)NC(C#N)CCSC.
What is the InChIKey of 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile?
The InChIKey is MCZCZMKUCCXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-14-5-3-9(7-11)13-10(8-12)4-6-15-2/h9-10,13H,3-6H2,1-2H3.
What are the key properties of 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile?
2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile has a molecular weight of 243.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methylsulfanylbutanenitrile is sourced from PubChem (CID 22908329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).