1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride

C12H25ClN2S — CID 115584811

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCSCC1)C1CC1.Cl
InChIInChI=1S/C12H24N2S.ClH/c1-14(2)12(10-3-4-10)9-13-11-5-7-15-8-6-11;/h10-13H,3-9H2,1-2H3;1H
InChIKeyNMSLKJWLJPQUOL-UHFFFAOYSA-N
MW264.87 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride

1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 115584811) has the molecular formula C12H25ClN2S and a molecular weight of 264.87 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
PubChem CID115584811
Molecular FormulaC12H25ClN2S
Molecular Weight264.87 g/mol
Exact Mass264.14
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCSCC1)C1CC1.Cl
InChIInChI=1S/C12H24N2S.ClH/c1-14(2)12(10-3-4-10)9-13-11-5-7-15-8-6-11;/h10-13H,3-9H2,1-2H3;1H
InChIKeyNMSLKJWLJPQUOL-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.87
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
N-(2-cyclopropylpropyl)thian-4-amine
CID 115592688
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 95122078
N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
N'-butan-2-yl-N'-methyl-N-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115605972
2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
CID 43394916
4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
CID 116907222
(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
CID 119859211
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine
CID 43394909
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methylpropanamide
CID 119859184
1-cyclopropyl-N,N-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
CID 133454114

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride (CID 115584811) is 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride is CN(C)C(CNC1CCSCC1)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is NMSLKJWLJPQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S.ClH/c1-14(2)12(10-3-4-10)9-13-11-5-7-15-8-6-11;/h10-13H,3-9H2,1-2H3;1H.
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride?
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 264.87 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115584811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).