N-methylthian-3-amine;hydrochloride

C6H14ClNS — CID 86811695

IUPACN-methylthian-3-amine;hydrochloride
SMILESCNC1CCCSC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-7-6-3-2-4-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyXAGXJDPZXCKRCR-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.52
Rot. Bonds1

About N-methylthian-3-amine;hydrochloride

N-methylthian-3-amine;hydrochloride (PubChem CID 86811695) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is N-methylthian-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methylthian-3-amine;hydrochloride
PubChem CID86811695
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC NameN-methylthian-3-amine;hydrochloride
SMILESCNC1CCCSC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-7-6-3-2-4-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyXAGXJDPZXCKRCR-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(N-methylthiolan-3-amine);oxalic acid
CID 72716278
N-(4-methylpentyl)thian-3-amine
CID 62871286
N-(1,1-difluoropropan-2-yl)thian-3-amine
CID 102870110
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N-(dicyclopropylmethyl)thian-3-amine
CID 62872321
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
1-(thian-3-ylamino)propan-2-ol
CID 62873442
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
thian-3-ylsulfamic acid
CID 14594130
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985

Frequently Asked Questions

What is the IUPAC name of N-methylthian-3-amine;hydrochloride?
The IUPAC name of N-methylthian-3-amine;hydrochloride (CID 86811695) is N-methylthian-3-amine;hydrochloride.
What is the SMILES notation for N-methylthian-3-amine;hydrochloride?
The canonical SMILES for N-methylthian-3-amine;hydrochloride is CNC1CCCSC1.Cl.
What is the InChIKey of N-methylthian-3-amine;hydrochloride?
The InChIKey is XAGXJDPZXCKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-7-6-3-2-4-8-5-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-methylthian-3-amine;hydrochloride?
N-methylthian-3-amine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthian-3-amine;hydrochloride is sourced from PubChem (CID 86811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).