(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide

C15H31N3O3S — CID 59884573

IUPAC(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide
SMILESCC(C)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-11(2)16-8-9-17(22(7,20)21)14(10-16)15(19)18(12(3)4)13(5)6/h11-14H,8-10H2,1-7H3/t14-/m1/s1
InChIKeyHUJKBIARDVWGLY-CQSZACIVSA-N
MW333.50 g/mol
LogP0.99
Rot. Bonds5

About (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide

(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide (PubChem CID 59884573) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide
PubChem CID59884573
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide
SMILESCC(C)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-11(2)16-8-9-17(22(7,20)21)14(10-16)15(19)18(12(3)4)13(5)6/h11-14H,8-10H2,1-7H3/t14-/m1/s1
InChIKeyHUJKBIARDVWGLY-CQSZACIVSA-N
XLogP0.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide (CID 59884573) is (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide is CC(C)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N(C(C)C)C(C)C)C1.
What is the InChIKey of (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide?
The InChIKey is HUJKBIARDVWGLY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-11(2)16-8-9-17(22(7,20)21)14(10-16)15(19)18(12(3)4)13(5)6/h11-14H,8-10H2,1-7H3/t14-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide?
(2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N,N,4-tri(propan-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 59884573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).