2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide

C10H22N4O4S — CID 106341703

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C10H22N4O4S/c1-7(2)8(9(11)14-16)10(15)12-5-4-6-13-19(3,17)18/h7-8,13,16H,4-6H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyUNVVFUTYXGQDHW-UHFFFAOYSA-N
MW294.38 g/mol
LogP-0.94
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide

2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide (PubChem CID 106341703) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
PubChem CID106341703
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C10H22N4O4S/c1-7(2)8(9(11)14-16)10(15)12-5-4-6-13-19(3,17)18/h7-8,13,16H,4-6H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyUNVVFUTYXGQDHW-UHFFFAOYSA-N
XLogP-0.94
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-oxopentyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 106240194
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5-methylhexyl)butanamide
CID 113287774
N-[2-(carbamoylamino)ethyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 83112952
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104764610
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76924898
3-(methanesulfonamido)propylthiourea
CID 106335651
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(1-methylcyclopentyl)methyl]butanamide
CID 63831085
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-phenylethyl)butanamide
CID 76925756
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide (CID 106341703) is 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide is CC(C)C(C(=O)NCCCNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide?
The InChIKey is UNVVFUTYXGQDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c1-7(2)8(9(11)14-16)10(15)12-5-4-6-13-19(3,17)18/h7-8,13,16H,4-6H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide?
2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide has a molecular weight of 294.38 g/mol, XLogP of -0.94, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide is sourced from PubChem (CID 106341703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).