4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one

C9H16N2OS — CID 106182616

IUPAC4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
SMILESCC1SCCC1NC1CNC(=O)C1
InChIInChI=1S/C9H16N2OS/c1-6-8(2-3-13-6)11-7-4-9(12)10-5-7/h6-8,11H,2-5H2,1H3,(H,10,12)
InChIKeySOPRMPLZJCQZCW-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.36
Rot. Bonds2

About 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one

4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one (PubChem CID 106182616) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
PubChem CID106182616
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
SMILESCC1SCCC1NC1CNC(=O)C1
InChIInChI=1S/C9H16N2OS/c1-6-8(2-3-13-6)11-7-4-9(12)10-5-7/h6-8,11H,2-5H2,1H3,(H,10,12)
InChIKeySOPRMPLZJCQZCW-UHFFFAOYSA-N
XLogP0.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
CID 130825919
4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one
CID 106184016
4-(piperidin-4-ylamino)pyrrolidin-2-one
CID 106184253
4-[[2-(aminomethyl)cyclopentyl]amino]pyrrolidin-2-one
CID 106184314
4-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyrrolidin-2-one
CID 114155168
2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
CID 102672829
4-(1,4-dioxepan-6-ylamino)pyrrolidin-2-one
CID 130559574
4-[(3-ethoxy-2-methoxycyclobutyl)amino]pyrrolidin-2-one
CID 106183997
5-[(3-methylcyclobutyl)amino]piperidin-2-one
CID 104859802
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 45098359
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 114155940

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one (CID 106182616) is 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one is CC1SCCC1NC1CNC(=O)C1.
What is the InChIKey of 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one?
The InChIKey is SOPRMPLZJCQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-8(2-3-13-6)11-7-4-9(12)10-5-7/h6-8,11H,2-5H2,1H3,(H,10,12).
What are the key properties of 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one?
4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one has a molecular weight of 200.31 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).