1-piperazin-1-ylsulfonyl-3-propan-2-ylurea

C8H18N4O3S — CID 170311112

IUPAC1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N4O3S/c1-7(2)10-8(13)11-16(14,15)12-5-3-9-4-6-12/h7,9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyBNRZAJDYRALTOR-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.16
Rot. Bonds3

About 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea

1-piperazin-1-ylsulfonyl-3-propan-2-ylurea (PubChem CID 170311112) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
PubChem CID170311112
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N4O3S/c1-7(2)10-8(13)11-16(14,15)12-5-3-9-4-6-12/h7,9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyBNRZAJDYRALTOR-UHFFFAOYSA-N
XLogP-1.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea?
The IUPAC name of 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea (CID 170311112) is 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea.
What is the SMILES notation for 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea?
The canonical SMILES for 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea?
The InChIKey is BNRZAJDYRALTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-7(2)10-8(13)11-16(14,15)12-5-3-9-4-6-12/h7,9H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea?
1-piperazin-1-ylsulfonyl-3-propan-2-ylurea has a molecular weight of 250.32 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonyl-3-propan-2-ylurea is sourced from PubChem (CID 170311112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).