N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide

C14H20N2O3S2 — CID 33336572

IUPACN-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccsc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H20N2O3S2/c1-11-7-10-20-13(11)3-4-14(17)16-8-5-12(6-9-16)15-21(2,18)19/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3/b4-3+
InChIKeyKUWDPVQAUXQRHM-ONEGZZNKSA-N
MW328.46 g/mol
LogP1.61
Rot. Bonds4

About N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide

N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 33336572) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
PubChem CID33336572
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccsc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H20N2O3S2/c1-11-7-10-20-13(11)3-4-14(17)16-8-5-12(6-9-16)15-21(2,18)19/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3/b4-3+
InChIKeyKUWDPVQAUXQRHM-ONEGZZNKSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-[3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]propanoic acid
CID 76937508
(E)-1-[(3S)-3-hydroxypiperidin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 93040592
(E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 9495877
(3S)-1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925278
(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 9496569
1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]-1,4-diazepan-5-one
CID 55152085
(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
CID 13100384
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 9338613
(E)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 8641945
1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43239929
N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
CID 154759251

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide (CID 33336572) is N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide is Cc1ccsc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is KUWDPVQAUXQRHM-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-11-7-10-20-13(11)3-4-14(17)16-8-5-12(6-9-16)15-21(2,18)19/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3/b4-3+.
What are the key properties of N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 33336572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).