1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine

C12H22N2S — CID 115728200

IUPAC1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine
SMILESCC1CN(C2CC2)CC1NC1CCSC1
InChIInChI=1S/C12H22N2S/c1-9-6-14(11-2-3-11)7-12(9)13-10-4-5-15-8-10/h9-13H,2-8H2,1H3
InChIKeyZPFQDZBNUVWPLG-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine

1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine (PubChem CID 115728200) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine
PubChem CID115728200
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine
SMILESCC1CN(C2CC2)CC1NC1CCSC1
InChIInChI=1S/C12H22N2S/c1-9-6-14(11-2-3-11)7-12(9)13-10-4-5-15-8-10/h9-13H,2-8H2,1H3
InChIKeyZPFQDZBNUVWPLG-UHFFFAOYSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
1-cyclopropyl-4-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 131043816
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447
N-(2-ethylcyclopropyl)thiolan-3-amine
CID 103783743
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-[2-(aminomethyl)cyclopentyl]thiolan-3-amine
CID 103062677
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
4-chloro-N-(thiolan-3-yl)oxolan-3-amine
CID 164656487
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethylcyclohexan-1-amine
CID 114763444

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine (CID 115728200) is 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine is CC1CN(C2CC2)CC1NC1CCSC1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine?
The InChIKey is ZPFQDZBNUVWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-6-14(11-2-3-11)7-12(9)13-10-4-5-15-8-10/h9-13H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine?
1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine has a molecular weight of 226.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115728200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).