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N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C15H24N4O3S2 — CID 119575430

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1
InChIInChI=1S/C15H24N4O3S2/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20)
InChIKeyCVDBJESFEGDNPE-UHFFFAOYSA-N
MW372.52 g/mol
LogP0.61
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 119575430) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID119575430
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1
InChIInChI=1S/C15H24N4O3S2/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20)
InChIKeyCVDBJESFEGDNPE-UHFFFAOYSA-N
XLogP0.61
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 119575430) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(CN)(NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is CVDBJESFEGDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-15(10-16,11-2-3-11)18-14(20)13-8-12(9-17-13)24(21,22)19-4-6-23-7-5-19/h8-9,11,17H,2-7,10,16H2,1H3,(H,18,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119575430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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