N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine

C9H19NS2 — CID 115901781

IUPACN-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
SMILESCCC(CSC)NC1CCSC1
InChIInChI=1S/C9H19NS2/c1-3-8(6-11-2)10-9-4-5-12-7-9/h8-10H,3-7H2,1-2H3
InChIKeyJCEKKXAUOZWGCC-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.22
Rot. Bonds5

About N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine

N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine (PubChem CID 115901781) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
PubChem CID115901781
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC NameN-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
SMILESCCC(CSC)NC1CCSC1
InChIInChI=1S/C9H19NS2/c1-3-8(6-11-2)10-9-4-5-12-7-9/h8-10H,3-7H2,1-2H3
InChIKeyJCEKKXAUOZWGCC-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
N-pent-1-yn-3-ylthiolan-3-amine
CID 103062821
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 115901812
N-(5-methylheptan-3-yl)thian-4-amine
CID 115889280
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
3-(thian-4-ylamino)pentanenitrile
CID 62646226
N-hex-5-yn-3-ylthian-4-amine
CID 115723527
ethyl 2-(thiolan-3-ylamino)butanoate
CID 103062793

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine (CID 115901781) is N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine is CCC(CSC)NC1CCSC1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine?
The InChIKey is JCEKKXAUOZWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-3-8(6-11-2)10-9-4-5-12-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine?
N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine has a molecular weight of 205.39 g/mol, XLogP of 2.22, 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)thiolan-3-amine is sourced from PubChem (CID 115901781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).