7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C26H35ClN2O2S — CID 70222274

IUPAC7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(N)(CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C26H35ClN2O2S/c1-26(29,32(30,31)17-20-4-5-20)14-2-3-18-6-9-21-10-13-25(28)24(23(21)15-18)16-19-7-11-22(27)12-8-19/h6-9,11-12,15,20,24-25H,2-5,10,13-14,16-17,28-29H2,1H3
InChIKeySYCJAQXEFOVAJO-UHFFFAOYSA-N
MW475.10 g/mol
LogP4.76
Rot. Bonds9

About 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 70222274) has the molecular formula C26H35ClN2O2S and a molecular weight of 475.10 g/mol. Its IUPAC name is 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID70222274
Molecular FormulaC26H35ClN2O2S
Molecular Weight475.10 g/mol
Exact Mass474.21
IUPAC Name7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(N)(CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2)S(=O)(=O)CC1CC1
InChIInChI=1S/C26H35ClN2O2S/c1-26(29,32(30,31)17-20-4-5-20)14-2-3-18-6-9-21-10-13-25(28)24(23(21)15-18)16-19-7-11-22(27)12-8-19/h6-9,11-12,15,20,24-25H,2-5,10,13-14,16-17,28-29H2,1H3
InChIKeySYCJAQXEFOVAJO-UHFFFAOYSA-N
XLogP4.76
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.10
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 70222274) is 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CC(N)(CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2)S(=O)(=O)CC1CC1.
What is the InChIKey of 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SYCJAQXEFOVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O2S/c1-26(29,32(30,31)17-20-4-5-20)14-2-3-18-6-9-21-10-13-25(28)24(23(21)15-18)16-19-7-11-22(27)12-8-19/h6-9,11-12,15,20,24-25H,2-5,10,13-14,16-17,28-29H2,1H3.
What are the key properties of 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 475.10 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-amino-4-(cyclopropylmethylsulfonyl)pentyl]-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 70222274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).