2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine

C15H21N5S — CID 64648749

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C15H21N5S/c1-3-11-4-6-12(7-5-11)14(16)10(2)21-15-17-18-19-20(15)13-8-9-13/h4-7,10,13-14H,3,8-9,16H2,1-2H3
InChIKeyCPLIUOHGIHLCGH-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.75
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine (PubChem CID 64648749) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine
PubChem CID64648749
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)Sc2nnnn2C2CC2)cc1
InChIInChI=1S/C15H21N5S/c1-3-11-4-6-12(7-5-11)14(16)10(2)21-15-17-18-19-20(15)13-8-9-13/h4-7,10,13-14H,3,8-9,16H2,1-2H3
InChIKeyCPLIUOHGIHLCGH-UHFFFAOYSA-N
XLogP2.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylpentan-3-amine
CID 64647783
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid
CID 105345079
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
CID 97313120
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
3-amino-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylpentan-1-ol
CID 114370185
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 9465670
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938534
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine (CID 64648749) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(N)C(C)Sc2nnnn2C2CC2)cc1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is CPLIUOHGIHLCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-3-11-4-6-12(7-5-11)14(16)10(2)21-15-17-18-19-20(15)13-8-9-13/h4-7,10,13-14H,3,8-9,16H2,1-2H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 303.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 64648749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).