N-(1,3-diaminopropan-2-yl)methanesulfonamide

C4H13N3O2S — CID 23565344

IUPACN-(1,3-diaminopropan-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC(CN)CN
InChIInChI=1S/C4H13N3O2S/c1-10(8,9)7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3
InChIKeyFWBAVVJKSKDSSY-UHFFFAOYSA-N
MW167.23 g/mol
LogP-2.18
Rot. Bonds4

About N-(1,3-diaminopropan-2-yl)methanesulfonamide

N-(1,3-diaminopropan-2-yl)methanesulfonamide (PubChem CID 23565344) has the molecular formula C4H13N3O2S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(1,3-diaminopropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-diaminopropan-2-yl)methanesulfonamide
PubChem CID23565344
Molecular FormulaC4H13N3O2S
Molecular Weight167.23 g/mol
Exact Mass167.07
IUPAC NameN-(1,3-diaminopropan-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC(CN)CN
InChIInChI=1S/C4H13N3O2S/c1-10(8,9)7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3
InChIKeyFWBAVVJKSKDSSY-UHFFFAOYSA-N
XLogP-2.18
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diaminopropan-2-yl)methanesulfonamide?
The IUPAC name of N-(1,3-diaminopropan-2-yl)methanesulfonamide (CID 23565344) is N-(1,3-diaminopropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3-diaminopropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1,3-diaminopropan-2-yl)methanesulfonamide is CS(=O)(=O)NC(CN)CN.
What is the InChIKey of N-(1,3-diaminopropan-2-yl)methanesulfonamide?
The InChIKey is FWBAVVJKSKDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O2S/c1-10(8,9)7-4(2-5)3-6/h4,7H,2-3,5-6H2,1H3.
What are the key properties of N-(1,3-diaminopropan-2-yl)methanesulfonamide?
N-(1,3-diaminopropan-2-yl)methanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diaminopropan-2-yl)methanesulfonamide is sourced from PubChem (CID 23565344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).