N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

C12H26N2S — CID 115901796

IUPACN-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCC(CSC)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2S/c1-5-11(9-15-4)13-12-6-7-14(8-12)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyBBACCYOYFUSXNU-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds6

About N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 115901796) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID115901796
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCC(CSC)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2S/c1-5-11(9-15-4)13-12-6-7-14(8-12)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyBBACCYOYFUSXNU-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(methylsulfanyl)pyrrolidin-3-amine dihydrochloride
CID 71756727
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 82759852
N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760081
N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760243
4-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760244
4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760327
N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 82760337
N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760893
1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 103748195
1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 103778079
N-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 106429780
N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 106429781

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 115901796) is N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is CCC(CSC)NC1CCN(C(C)C)C1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BBACCYOYFUSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-11(9-15-4)13-12-6-7-14(8-12)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 6 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)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 115901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).