N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

C15H24N2O2S2 — CID 65045204

IUPACN-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCCNC1(c2nc3c(s2)CCCC3)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-3-16-15(10-6-9-13(15)21(2,18)19)14-17-11-7-4-5-8-12(11)20-14/h13,16H,3-10H2,1-2H3
InChIKeyQFNQBLMOFVBNTN-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.42
Rot. Bonds4

About N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 65045204) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID65045204
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCCNC1(c2nc3c(s2)CCCC3)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-3-16-15(10-6-9-13(15)21(2,18)19)14-17-11-7-4-5-8-12(11)20-14/h13,16H,3-10H2,1-2H3
InChIKeyQFNQBLMOFVBNTN-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61331038
N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 65084641
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 64755799
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 63405345
2,3-dimethyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 64754372
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
CID 65086029
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 64513823
N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 82718648
2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 65045364
4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61338476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (CID 65045204) is N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is CCNC1(c2nc3c(s2)CCCC3)CCCC1S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is QFNQBLMOFVBNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-15(10-6-9-13(15)21(2,18)19)14-17-11-7-4-5-8-12(11)20-14/h13,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 65045204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).