CID 174101878

C10H15BN4O3S — CID 174101878

IUPAC—
SMILES[B]c1cn(C)c(=O)c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H15BN4O3S/c1-13-7-8(11)12-9(10(13)16)14-3-5-15(6-4-14)19(2,17)18/h7H,3-6H2,1-2H3
InChIKeyMVAPMMPSMHBMJY-UHFFFAOYSA-N
MW282.13 g/mol
LogP-2.34
Rot. Bonds2

About CID 174101878

CID 174101878 (PubChem CID 174101878) has the molecular formula C10H15BN4O3S and a molecular weight of 282.13 g/mol.

Molecular Properties

Compound NameCID 174101878
PubChem CID174101878
Molecular FormulaC10H15BN4O3S
Molecular Weight282.13 g/mol
Exact Mass282.10
IUPAC Name—
SMILES[B]c1cn(C)c(=O)c(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H15BN4O3S/c1-13-7-8(11)12-9(10(13)16)14-3-5-15(6-4-14)19(2,17)18/h7H,3-6H2,1-2H3
InChIKeyMVAPMMPSMHBMJY-UHFFFAOYSA-N
XLogP-2.34
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 174101874
CID 174101874
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
5-bromo-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 146242984
1-(3,6-dimethylpyrazin-2-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435361
2-tert-butyl-4-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80947034
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
4-(4-methylsulfonylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56889018
3-chloro-2-(4-methylsulfonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107062567
7-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrrolo[2,3-d]pyrimidine
CID 165435618
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599

Frequently Asked Questions

What is the IUPAC name of CID 174101878?
The IUPAC name of CID 174101878 (CID 174101878) is not available.
What is the SMILES notation for CID 174101878?
The canonical SMILES for CID 174101878 is [B]c1cn(C)c(=O)c(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of CID 174101878?
The InChIKey is MVAPMMPSMHBMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN4O3S/c1-13-7-8(11)12-9(10(13)16)14-3-5-15(6-4-14)19(2,17)18/h7H,3-6H2,1-2H3.
What are the key properties of CID 174101878?
CID 174101878 has a molecular weight of 282.13 g/mol, XLogP of -2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174101878 is sourced from PubChem (CID 174101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).