N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine

C8H17NS — CID 167102404

IUPACN,N-dimethyl-1-[(3R)-thian-3-yl]methanamine
SMILESCN(C)C[C@H]1CCCSC1
InChIInChI=1S/C8H17NS/c1-9(2)6-8-4-3-5-10-7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyGIRMARMGZGYSQM-MRVPVSSYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds2

About N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine

N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine (PubChem CID 167102404) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3R)-thian-3-yl]methanamine
PubChem CID167102404
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dimethyl-1-[(3R)-thian-3-yl]methanamine
SMILESCN(C)C[C@H]1CCCSC1
InChIInChI=1S/C8H17NS/c1-9(2)6-8-4-3-5-10-7-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyGIRMARMGZGYSQM-MRVPVSSYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine (CID 167102404) is N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine is CN(C)C[C@H]1CCCSC1.
What is the InChIKey of N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine?
The InChIKey is GIRMARMGZGYSQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9(2)6-8-4-3-5-10-7-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine?
N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine is sourced from PubChem (CID 167102404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).