2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide

C14H18N4O2S — CID 67077777

IUPAC2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide
SMILESCC#Cc1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
InChIInChI=1S/C14H18N4O2S/c1-2-4-10-7-11(13(21-10)18-14(15)20)12(19)17-9-5-3-6-16-8-9/h7,9,16H,3,5-6,8H2,1H3,(H,17,19)(H3,15,18,20)/t9-/m0/s1
InChIKeyUMZDFAXYOSNMDH-VIFPVBQESA-N
MW306.39 g/mol
LogP1.09
Rot. Bonds3

About 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide

2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide (PubChem CID 67077777) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide
PubChem CID67077777
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide
SMILESCC#Cc1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
InChIInChI=1S/C14H18N4O2S/c1-2-4-10-7-11(13(21-10)18-14(15)20)12(19)17-9-5-3-6-16-8-9/h7,9,16H,3,5-6,8H2,1H3,(H,17,19)(H3,15,18,20)/t9-/m0/s1
InChIKeyUMZDFAXYOSNMDH-VIFPVBQESA-N
XLogP1.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide (CID 67077777) is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide is CC#Cc1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide?
The InChIKey is UMZDFAXYOSNMDH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-4-10-7-11(13(21-10)18-14(15)20)12(19)17-9-5-3-6-16-8-9/h7,9,16H,3,5-6,8H2,1H3,(H,17,19)(H3,15,18,20)/t9-/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-prop-1-ynylthiophene-3-carboxamide is sourced from PubChem (CID 67077777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).