N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride

C7H16ClN5S — CID 44665530

IUPACN,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCN(C)CCCSc1nnnn1C.Cl
InChIInChI=1S/C7H15N5S.ClH/c1-11(2)5-4-6-13-7-8-9-10-12(7)3;/h4-6H2,1-3H3;1H
InChIKeyAQHWQPOHGHQTJT-UHFFFAOYSA-N
MW237.76 g/mol
LogP0.68
Rot. Bonds5

About N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride

N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride (PubChem CID 44665530) has the molecular formula C7H16ClN5S and a molecular weight of 237.76 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
PubChem CID44665530
Molecular FormulaC7H16ClN5S
Molecular Weight237.76 g/mol
Exact Mass237.08
IUPAC NameN,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
SMILESCN(C)CCCSc1nnnn1C.Cl
InChIInChI=1S/C7H15N5S.ClH/c1-11(2)5-4-6-13-7-8-9-10-12(7)3;/h4-6H2,1-3H3;1H
InChIKeyAQHWQPOHGHQTJT-UHFFFAOYSA-N
XLogP0.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
CID 43187652
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
N,N-dimethyl-4-[[3-(1-methyltetrazol-5-yl)sulfanylpropylamino]methyl]aniline;dihydrochloride
CID 17060165
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621
2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 144687362
4-(1-methyltetrazol-5-yl)sulfanylbutylthiourea
CID 163707173

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride (CID 44665530) is N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride is CN(C)CCCSc1nnnn1C.Cl.
What is the InChIKey of N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride?
The InChIKey is AQHWQPOHGHQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S.ClH/c1-11(2)5-4-6-13-7-8-9-10-12(7)3;/h4-6H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride?
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride has a molecular weight of 237.76 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride is sourced from PubChem (CID 44665530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).