N-(1-methylsulfanylbutan-2-yl)thian-4-amine

C10H21NS2 — CID 115901705

IUPACN-(1-methylsulfanylbutan-2-yl)thian-4-amine
SMILESCCC(CSC)NC1CCSCC1
InChIInChI=1S/C10H21NS2/c1-3-9(8-12-2)11-10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyFLTOTKGJNSGJPX-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.61
Rot. Bonds5

About N-(1-methylsulfanylbutan-2-yl)thian-4-amine

N-(1-methylsulfanylbutan-2-yl)thian-4-amine (PubChem CID 115901705) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)thian-4-amine
PubChem CID115901705
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC NameN-(1-methylsulfanylbutan-2-yl)thian-4-amine
SMILESCCC(CSC)NC1CCSCC1
InChIInChI=1S/C10H21NS2/c1-3-9(8-12-2)11-10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyFLTOTKGJNSGJPX-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
CID 115901781
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 115901812
N-(5-methylheptan-3-yl)thian-4-amine
CID 115889280
3-(thian-4-ylamino)pentanenitrile
CID 62646226
N-hex-5-yn-3-ylthian-4-amine
CID 115723527
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614
N-(2,2-dimethylpentan-3-yl)thian-4-amine;hydrochloride
CID 115616057
N-butan-2-ylthiepan-4-amine
CID 164646547

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)thian-4-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)thian-4-amine (CID 115901705) is N-(1-methylsulfanylbutan-2-yl)thian-4-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)thian-4-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)thian-4-amine is CCC(CSC)NC1CCSCC1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)thian-4-amine?
The InChIKey is FLTOTKGJNSGJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-3-9(8-12-2)11-10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)thian-4-amine?
N-(1-methylsulfanylbutan-2-yl)thian-4-amine has a molecular weight of 219.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)thian-4-amine is sourced from PubChem (CID 115901705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).