N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine

C10H22N2S — CID 102819660

IUPACN-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCSCC(C)N(C)C[C@H]1CCCN1
InChIInChI=1S/C10H22N2S/c1-9(8-13-3)12(2)7-10-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyKIIKPHKFZAHFSJ-QVDQXJPCSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine

N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 102819660) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID102819660
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCSCC(C)N(C)C[C@H]1CCCN1
InChIInChI=1S/C10H22N2S/c1-9(8-13-3)12(2)7-10-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyKIIKPHKFZAHFSJ-QVDQXJPCSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-(azocan-2-ylmethyl)-N-methyl-1-methylsulfanylbutan-2-amine
CID 114240397
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
1-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602779
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine (CID 102819660) is N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine is CSCC(C)N(C)C[C@H]1CCCN1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is KIIKPHKFZAHFSJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(8-13-3)12(2)7-10-5-4-6-11-10/h9-11H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine?
N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 102819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).