N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine

C6H14N2S — CID 153331663

IUPACN-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
SMILESCSNCC1CCNC1
InChIInChI=1S/C6H14N2S/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3
InChIKeyNVROPDJKEREVBD-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.46
Rot. Bonds3

About N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine

N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 153331663) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
PubChem CID153331663
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
SMILESCSNCC1CCNC1
InChIInChI=1S/C6H14N2S/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3
InChIKeyNVROPDJKEREVBD-UHFFFAOYSA-N
XLogP0.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
N-methoxy-1-pyrrolidin-3-ylmethanamine
CID 14478542
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
N-cyclopropylsulfanyl-1-piperidin-3-ylmethanamine
CID 170292773
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine (CID 153331663) is N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine is CSNCC1CCNC1.
What is the InChIKey of N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is NVROPDJKEREVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-9-8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3.
What are the key properties of N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine?
N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 146.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 153331663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).