(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine

C7H16N2S — CID 129226195

IUPAC(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
SMILESCSN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C7H16N2S/c1-8(2)7-4-5-9(6-7)10-3/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUDGAKHKULDCBCT-SSDOTTSWSA-N
MW160.29 g/mol
LogP0.90
Rot. Bonds2

About (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine

(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine (PubChem CID 129226195) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
PubChem CID129226195
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
SMILESCSN1CC[C@@H](N(C)C)C1
InChIInChI=1S/C7H16N2S/c1-8(2)7-4-5-9(6-7)10-3/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUDGAKHKULDCBCT-SSDOTTSWSA-N
XLogP0.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine (CID 129226195) is (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine is CSN1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine?
The InChIKey is UDGAKHKULDCBCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2S/c1-8(2)7-4-5-9(6-7)10-3/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 129226195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).