N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

C20H33ClN2O3S — CID 119987701

IUPACN-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCCCCCOc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C20H32N2O3S.ClH/c1-2-3-4-15-25-19-7-9-20(10-8-19)26(23,24)22-13-11-18(12-14-22)21-16-17-5-6-17;/h7-10,17-18,21H,2-6,11-16H2,1H3;1H
InChIKeyWVCWANHWKULXJB-UHFFFAOYSA-N
MW417.02 g/mol
LogP3.83
Rot. Bonds10

About N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119987701) has the molecular formula C20H33ClN2O3S and a molecular weight of 417.02 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119987701
Molecular FormulaC20H33ClN2O3S
Molecular Weight417.02 g/mol
Exact Mass416.19
IUPAC NameN-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCCCCCOc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C20H32N2O3S.ClH/c1-2-3-4-15-25-19-7-9-20(10-8-19)26(23,24)22-13-11-18(12-14-22)21-16-17-5-6-17;/h7-10,17-18,21H,2-6,11-16H2,1H3;1H
InChIKeyWVCWANHWKULXJB-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.02
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
4-[3-[[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-hydroxypropoxy]phenol
CID 18767785
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
ethyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987752
1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 54039969
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119987555
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119987701) is N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is CCCCCOc1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is WVCWANHWKULXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S.ClH/c1-2-3-4-15-25-19-7-9-20(10-8-19)26(23,24)22-13-11-18(12-14-22)21-16-17-5-6-17;/h7-10,17-18,21H,2-6,11-16H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 417.02 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).