N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine

C8H18N2S — CID 142366261

IUPACN-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine
SMILESCNC1CCN(SC(C)C)C1
InChIInChI=1S/C8H18N2S/c1-7(2)11-10-5-4-8(6-10)9-3/h7-9H,4-6H2,1-3H3
InChIKeyFWFRIMRKGDJDJI-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine

N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine (PubChem CID 142366261) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine
PubChem CID142366261
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine
SMILESCNC1CCN(SC(C)C)C1
InChIInChI=1S/C8H18N2S/c1-7(2)11-10-5-4-8(6-10)9-3/h7-9H,4-6H2,1-3H3
InChIKeyFWFRIMRKGDJDJI-UHFFFAOYSA-N
XLogP1.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-3-Ethylamino-4-methylthio-pyrrolidine
CID 15069979
N-methyl-4-methylsulfanylpyrrolidin-3-amine
CID 18969111
4-Methylsulfanylpyrrolidin-3-amine
CID 19694990
N'-[2-(ethylsulfanylamino)ethyl]-N-methylpropane-1,3-diamine
CID 19965199
N-ethyl-4-methylsulfanylpyrrolidin-3-amine
CID 19969809
N-methyl-1,2-thiazolidin-4-amine
CID 20736566
2-[[Ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 20829766
5-[[Ethyl(methyl)amino]methyl]pyrrolidine-3-thiol
CID 22986111
N-butylpyrrolidin-3-amine
CID 23025363
N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54236574
(3S,4S)-N-methyl-4-methylsulfanylpyrrolidin-3-amine
CID 54284687
(3S,4S)-4-methylsulfanylpyrrolidin-3-amine
CID 54423186

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine (CID 142366261) is N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine is CNC1CCN(SC(C)C)C1.
What is the InChIKey of N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine?
The InChIKey is FWFRIMRKGDJDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(2)11-10-5-4-8(6-10)9-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine?
N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine has a molecular weight of 174.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 142366261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).