N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine

C12H24N2S — CID 39781789

IUPACN-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
SMILESCN(C[C@@H]1CCCN1C)C1CCSCC1
InChIInChI=1S/C12H24N2S/c1-13-7-3-4-12(13)10-14(2)11-5-8-15-9-6-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyAJSBBTJNIGSNFN-LBPRGKRZSA-N
MW228.40 g/mol
LogP1.91
Rot. Bonds3

About N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine

N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine (PubChem CID 39781789) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
PubChem CID39781789
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
SMILESCN(C[C@@H]1CCCN1C)C1CCSCC1
InChIInChI=1S/C12H24N2S/c1-13-7-3-4-12(13)10-14(2)11-5-8-15-9-6-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyAJSBBTJNIGSNFN-LBPRGKRZSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
CID 39781787
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 81005238
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thian-4-amine
CID 50983919
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]thian-4-amine
CID 95147822
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
CID 79644725

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine?
The IUPAC name of N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine (CID 39781789) is N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine?
The canonical SMILES for N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine is CN(C[C@@H]1CCCN1C)C1CCSCC1.
What is the InChIKey of N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine?
The InChIKey is AJSBBTJNIGSNFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2S/c1-13-7-3-4-12(13)10-14(2)11-5-8-15-9-6-11/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine?
N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine has a molecular weight of 228.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine is sourced from PubChem (CID 39781789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).